2-(4-Nitrobenzoyl)-4,5-methylenedioxyphenylacetone
TL;DR: 2-(4-Nitrobenzoyl)-4,5-methylenedioxyphenylacetone (CAS 433716-67-7) is a chemical compound with molecular formula C17H13NO6 and molecular weight 327.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6-(4-nitrobenzoyl)-1,3-benzodioxol-5-yl]propan-2-one
Also Known As: 2-(4-nitrobenzoyl)-4,5-methylenedioxyphenylacetone, 1-[6-(4-nitrobenzoyl)-1,3-benzodioxol-5-yl]propan-2-one
| Molecular Formula | C17H13NO6 |
|---|---|
| Molecular Weight | 327.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 98.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.07428 |
| Heavy Atoms | 24 |
| Complexity | 508.0 |
Chemical Identifiers
| CAS Number | 433716-67-7 |
|---|---|
| SMILES | CC(=O)CC1=CC2=C(C=C1C(=O)C3=CC=C(C=C3)[N+](=O)[O-])OCO2 |
| InChIKey | AUGHAXCURHVZLX-UHFFFAOYSA-N |
Product Overview
2-(4-Nitrobenzoyl)-4,5-methylenedioxyphenylacetone (CAS 433716-67-7), with molecular formula C17H13NO6 and molecular weight 327.07 g/mol. IUPAC: 1-[6-(4-nitrobenzoyl)-1,3-benzodioxol-5-yl]propan-2-one.
Chemical Property Profile of 2-(4-Nitrobenzoyl)-4,5-methylenedioxyphenylacetone
Property Insights of 2-(4-Nitrobenzoyl)-4,5-methylenedioxyphenylacetone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Nitrobenzoyl)-4,5-methylenedioxyphenylacetone. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Nitrobenzoyl)-4,5-methylenedioxyphenylacetone. Following Lipinski's Rule of Five, 2-(4-Nitrobenzoyl)-4,5-methylenedioxyphenylacetone has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-Nitrobenzoyl)-4,5-methylenedioxyphenylacetone?
The CAS number of 2-(4-Nitrobenzoyl)-4,5-methylenedioxyphenylacetone is 433716-67-7.
What is the molecular formula of 2-(4-Nitrobenzoyl)-4,5-methylenedioxyphenylacetone?
The molecular formula of 2-(4-Nitrobenzoyl)-4,5-methylenedioxyphenylacetone is C17H13NO6.
What is the molecular weight of 2-(4-Nitrobenzoyl)-4,5-methylenedioxyphenylacetone?
The molecular weight of 2-(4-Nitrobenzoyl)-4,5-methylenedioxyphenylacetone is 327.07 g/mol.
Where can I buy 2-(4-Nitrobenzoyl)-4,5-methylenedioxyphenylacetone?
You can request a quote for 2-(4-Nitrobenzoyl)-4,5-methylenedioxyphenylacetone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Nitrobenzoyl)-4,5-methylenedioxyphenylacetone?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Nitrobenzoyl)-4,5-methylenedioxyphenylacetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.